Information card for entry 7041856

Structure parameters

• Formula: C29 H39 F3 N2 O3 S2
• Calculated formula: C29 H39 F3 N2 O3 S2
• Title of publication: N-Heterocyclic carbene stabilized parent sulfenyl, selenenyl, and tellurenyl cations (XH(+), X = S, Se, Te).
• Authors of publication: Liu, Liu Leo; Zhu, Diya; Cao, Levy L.; Stephan, Douglas W.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 10
• Pages of publication: 3095 - 3099
• a: 15.9377 ± 0.0014 Å
• b: 17.313 ± 0.0013 Å
• c: 21.9697 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6062.1 ± 0.9 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1334
• Residual factor for significantly intense reflections: 0.0537
• Weighted residual factors for significantly intense reflections: 0.1365
• Weighted residual factors for all reflections included in the refinement: 0.1767
• Goodness-of-fit parameter for all reflections included in the refinement: 0.971
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No